element(s): ['Si'] AFLOW prototype label: A_cI82_217_acgh Parameter names: ['a', 'x2', 'x3', 'z3', 'x4', 'y4', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.484', '0.60872638', '0.067937819', '0.29127613', '0.022996208', '0.36892608', '0.23626523'] model name: Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.10872638 0.10872638 0.10872638] [0.06793782 0.06793782 0.29127613] [0.52299621 0.86892608 0.73626523]] spacegroup = 217 cell = [[12.484, 0, 0], [0, 12.484, 0], [0, 0, 12.484]] ========================================= Step Time Energy fmax BFGS: 0 18:18:09 274.700901 4.2208 BFGS: 1 18:18:09 273.851522 4.2083 BFGS: 2 18:18:09 273.022561 4.1959 BFGS: 3 18:18:09 272.211639 4.1836 BFGS: 4 18:18:09 271.416802 4.1714 BFGS: 5 18:18:09 270.636389 4.1597 BFGS: 6 18:18:09 269.868971 4.1480 BFGS: 7 18:18:09 269.113382 4.1364 BFGS: 8 18:18:10 268.368625 4.1249 BFGS: 9 18:18:10 267.633838 4.1134 BFGS: 10 18:18:10 266.908269 4.1020 BFGS: 11 18:18:10 266.191259 4.0908 BFGS: 12 18:18:10 265.482148 4.0799 BFGS: 13 18:18:10 264.780344 4.0691 BFGS: 14 18:18:11 264.085377 4.0584 BFGS: 15 18:18:11 263.396829 4.0477 BFGS: 16 18:18:11 262.714323 4.0371 BFGS: 17 18:18:11 262.037517 4.0265 BFGS: 18 18:18:11 261.366100 4.0159 BFGS: 19 18:18:12 260.699789 4.0054 BFGS: 20 18:18:12 260.038326 3.9949 BFGS: 21 18:18:12 259.381472 3.9844 BFGS: 22 18:18:12 258.729008 3.9740 BFGS: 23 18:18:13 258.080729 3.9636 BFGS: 24 18:18:13 257.436449 3.9532 BFGS: 25 18:18:14 256.795991 3.9429 BFGS: 26 18:18:15 256.159193 3.9325 BFGS: 27 18:18:15 255.525903 3.9223 BFGS: 28 18:18:16 254.895978 3.9120 BFGS: 29 18:18:16 254.269285 3.9018 BFGS: 30 18:18:17 253.645700 3.8916 BFGS: 31 18:18:17 253.025104 3.8814 BFGS: 32 18:18:17 252.407386 3.8712 BFGS: 33 18:18:17 251.792444 3.8611 BFGS: 34 18:18:17 251.180178 3.8510 BFGS: 35 18:18:17 250.570494 3.8409 BFGS: 36 18:18:18 249.963259 3.8313 BFGS: 37 18:18:18 249.358376 3.8216 BFGS: 38 18:18:18 248.755768 3.8120 BFGS: 39 18:18:18 248.155327 3.8027 BFGS: 40 18:18:18 247.556871 3.7937 BFGS: 41 18:18:18 246.960323 3.7846 BFGS: 42 18:18:18 246.365627 3.7756 BFGS: 43 18:18:18 245.772729 3.7666 BFGS: 44 18:18:18 245.181575 3.7575 BFGS: 45 18:18:19 244.592116 3.7485 BFGS: 46 18:18:19 244.004304 3.7395 BFGS: 47 18:18:19 243.418093 3.7305 BFGS: 48 18:18:19 242.833439 3.7216 BFGS: 49 18:18:19 242.250299 3.7126 BFGS: 50 18:18:19 241.668633 3.7036 BFGS: 51 18:18:19 241.088402 3.6947 BFGS: 52 18:18:20 240.509569 3.6857 BFGS: 53 18:18:20 239.932096 3.6768 BFGS: 54 18:18:20 239.355949 3.6679 BFGS: 55 18:18:20 238.781094 3.6590 BFGS: 56 18:18:20 238.207498 3.6501 BFGS: 57 18:18:21 237.635129 3.6412 BFGS: 58 18:18:21 237.063958 3.6323 BFGS: 59 18:18:21 236.493953 3.6234 BFGS: 60 18:18:21 235.925087 3.6146 BFGS: 61 18:18:21 235.357325 3.6059 BFGS: 62 18:18:22 234.790641 3.5971 BFGS: 63 18:18:22 234.225008 3.5884 BFGS: 64 18:18:22 233.660400 3.5797 BFGS: 65 18:18:22 233.096791 3.5711 BFGS: 66 18:18:22 232.534158 3.5624 BFGS: 67 18:18:22 231.972475 3.5537 BFGS: 68 18:18:22 231.411718 3.5451 BFGS: 69 18:18:22 230.851866 3.5364 BFGS: 70 18:18:23 230.292895 3.5277 BFGS: 71 18:18:23 229.734783 3.5191 BFGS: 72 18:18:23 229.177460 3.5109 BFGS: 73 18:18:23 228.620776 3.5028 BFGS: 74 18:18:23 228.064697 3.4946 BFGS: 75 18:18:23 227.509196 3.4865 BFGS: 76 18:18:23 226.954247 3.4784 BFGS: 77 18:18:23 226.399826 3.4703 BFGS: 78 18:18:23 225.845905 3.4622 BFGS: 79 18:18:23 225.292461 3.4541 BFGS: 80 18:18:24 224.739469 3.4460 BFGS: 81 18:18:24 224.186905 3.4379 BFGS: 82 18:18:24 223.634745 3.4298 BFGS: 83 18:18:24 223.082966 3.4218 BFGS: 84 18:18:24 222.531544 3.4137 BFGS: 85 18:18:24 221.980457 3.4056 BFGS: 86 18:18:24 221.429683 3.3976 BFGS: 87 18:18:24 220.879200 3.3896 BFGS: 88 18:18:24 220.328986 3.3815 BFGS: 89 18:18:24 219.779020 3.3735 BFGS: 90 18:18:24 219.229283 3.3655 BFGS: 91 18:18:24 218.679752 3.3574 BFGS: 92 18:18:24 218.130409 3.3494 BFGS: 93 18:18:24 217.581234 3.3414 BFGS: 94 18:18:25 217.032208 3.3334 BFGS: 95 18:18:25 216.483312 3.3254 BFGS: 96 18:18:25 215.934529 3.3174 BFGS: 97 18:18:25 215.385840 3.3094 BFGS: 98 18:18:25 214.837229 3.3014 BFGS: 99 18:18:25 214.288678 3.2934 BFGS: 100 18:18:25 213.740172 3.2854 BFGS: 101 18:18:25 213.191696 3.2774 BFGS: 102 18:18:25 212.643232 3.2694 BFGS: 103 18:18:25 212.094769 3.2614 BFGS: 104 18:18:25 211.546290 3.2534 BFGS: 105 18:18:25 210.997783 3.2454 BFGS: 106 18:18:25 210.449234 3.2374 BFGS: 107 18:18:25 209.900631 3.2294 BFGS: 108 18:18:26 209.351963 3.2215 BFGS: 109 18:18:26 208.803218 3.2135 BFGS: 110 18:18:26 208.254385 3.2055 BFGS: 111 18:18:26 207.705455 3.1975 BFGS: 112 18:18:26 207.156417 3.1895 BFGS: 113 18:18:26 206.607264 3.1815 BFGS: 114 18:18:26 206.057986 3.1735 BFGS: 115 18:18:26 205.508576 3.1655 BFGS: 116 18:18:26 204.959027 3.1575 BFGS: 117 18:18:26 204.409333 3.1495 BFGS: 118 18:18:26 203.859487 3.1415 BFGS: 119 18:18:26 203.309485 3.1335 BFGS: 120 18:18:27 202.759321 3.1255 BFGS: 121 18:18:27 202.208993 3.1175 BFGS: 122 18:18:27 201.658495 3.1095 BFGS: 123 18:18:27 201.107825 3.1014 BFGS: 124 18:18:27 200.556982 3.0934 BFGS: 125 18:18:27 200.005962 3.0854 BFGS: 126 18:18:27 199.454765 3.0774 BFGS: 127 18:18:27 198.903391 3.0694 BFGS: 128 18:18:27 198.351839 3.0613 BFGS: 129 18:18:27 197.800109 3.0533 BFGS: 130 18:18:27 197.248204 3.0452 BFGS: 131 18:18:27 196.696123 3.0372 BFGS: 132 18:18:27 196.143869 3.0291 BFGS: 133 18:18:28 195.591445 3.0211 BFGS: 134 18:18:28 195.038854 3.0130 BFGS: 135 18:18:28 194.486099 3.0050 BFGS: 136 18:18:28 193.933185 2.9969 BFGS: 137 18:18:28 193.380115 2.9888 BFGS: 138 18:18:28 192.826895 2.9808 BFGS: 139 18:18:28 192.273530 2.9727 BFGS: 140 18:18:28 191.720026 2.9646 BFGS: 141 18:18:28 191.166390 2.9565 BFGS: 142 18:18:28 190.612629 2.9484 BFGS: 143 18:18:28 190.058749 2.9403 BFGS: 144 18:18:28 189.504759 2.9322 BFGS: 145 18:18:28 188.950667 2.9241 BFGS: 146 18:18:29 188.396481 2.9160 BFGS: 147 18:18:29 187.842211 2.9079 BFGS: 148 18:18:29 187.287865 2.8997 BFGS: 149 18:18:29 186.733456 2.8916 BFGS: 150 18:18:29 186.178991 2.8835 BFGS: 151 18:18:29 185.624484 2.8753 BFGS: 152 18:18:29 185.069944 2.8672 BFGS: 153 18:18:29 184.515384 2.8590 BFGS: 154 18:18:29 183.960815 2.8509 BFGS: 155 18:18:29 183.406252 2.8427 BFGS: 156 18:18:29 182.851706 2.8345 BFGS: 157 18:18:29 182.297191 2.8264 BFGS: 158 18:18:29 181.742721 2.8182 BFGS: 159 18:18:29 181.188311 2.8100 BFGS: 160 18:18:30 180.633976 2.8018 BFGS: 161 18:18:30 180.079731 2.7936 BFGS: 162 18:18:30 179.525533 2.7859 BFGS: 163 18:18:30 178.971292 2.7782 BFGS: 164 18:18:30 178.417021 2.7706 BFGS: 165 18:18:30 177.862735 2.7629 BFGS: 166 18:18:30 177.308453 2.7553 BFGS: 167 18:18:30 176.754235 2.7479 BFGS: 168 18:18:30 176.200146 2.7405 BFGS: 169 18:18:30 175.646202 2.7331 BFGS: 170 18:18:30 175.092425 2.7257 BFGS: 171 18:18:30 174.538832 2.7182 BFGS: 172 18:18:30 173.985443 2.7108 BFGS: 173 18:18:30 173.432280 2.7034 BFGS: 174 18:18:30 172.879362 2.6959 BFGS: 175 18:18:30 172.326712 2.6885 BFGS: 176 18:18:30 171.774350 2.6810 BFGS: 177 18:18:30 171.222300 2.6736 BFGS: 178 18:18:30 170.670583 2.6661 BFGS: 179 18:18:30 170.119224 2.6587 BFGS: 180 18:18:30 169.568245 2.6512 BFGS: 181 18:18:30 169.017670 2.6437 BFGS: 182 18:18:31 168.467525 2.6362 BFGS: 183 18:18:31 167.917833 2.6287 BFGS: 184 18:18:31 167.368620 2.6213 BFGS: 185 18:18:31 166.819911 2.6138 BFGS: 186 18:18:31 166.271733 2.6063 BFGS: 187 18:18:31 165.724112 2.5988 BFGS: 188 18:18:31 165.177083 2.5915 BFGS: 189 18:18:31 164.630836 2.5845 BFGS: 190 18:18:31 164.085522 2.5776 BFGS: 191 18:18:31 163.541170 2.5707 BFGS: 192 18:18:31 162.997807 2.5638 BFGS: 193 18:18:31 162.455461 2.5568 BFGS: 194 18:18:31 161.914160 2.5499 BFGS: 195 18:18:31 161.373933 2.5430 BFGS: 196 18:18:31 160.834808 2.5361 BFGS: 197 18:18:31 160.296814 2.5292 BFGS: 198 18:18:32 159.759978 2.5222 BFGS: 199 18:18:32 159.224330 2.5153 BFGS: 200 18:18:32 158.689898 2.5084 BFGS: 201 18:18:32 158.156710 2.5015 BFGS: 202 18:18:32 157.624794 2.4945 BFGS: 203 18:18:32 157.094180 2.4876 BFGS: 204 18:18:32 156.564896 2.4807 BFGS: 205 18:18:32 156.036969 2.4738 BFGS: 206 18:18:32 155.510428 2.4669 BFGS: 207 18:18:32 154.985302 2.4599 BFGS: 208 18:18:32 154.461617 2.4530 BFGS: 209 18:18:32 153.939403 2.4461 BFGS: 210 18:18:32 153.418687 2.4392 BFGS: 211 18:18:32 152.899496 2.4323 BFGS: 212 18:18:32 152.381857 2.4254 BFGS: 213 18:18:33 151.865799 2.4185 BFGS: 214 18:18:33 151.351348 2.4116 BFGS: 215 18:18:33 150.838531 2.4047 BFGS: 216 18:18:33 150.327374 2.3978 BFGS: 217 18:18:33 149.817904 2.3909 BFGS: 218 18:18:33 149.310147 2.3840 BFGS: 219 18:18:33 148.804129 2.3771 BFGS: 220 18:18:33 148.299875 2.3702 BFGS: 221 18:18:33 147.797410 2.3633 BFGS: 222 18:18:33 147.296760 2.3564 BFGS: 223 18:18:33 146.797949 2.3496 BFGS: 224 18:18:33 146.301001 2.3427 BFGS: 225 18:18:33 145.805940 2.3358 BFGS: 226 18:18:33 145.312790 2.3290 BFGS: 227 18:18:33 144.821574 2.3221 BFGS: 228 18:18:33 144.332314 2.3152 BFGS: 229 18:18:34 143.845034 2.3084 BFGS: 230 18:18:34 143.359755 2.3016 BFGS: 231 18:18:34 142.876498 2.2947 BFGS: 232 18:18:34 142.395285 2.2879 BFGS: 233 18:18:34 141.916137 2.2811 BFGS: 234 18:18:34 141.439073 2.2742 BFGS: 235 18:18:34 140.964114 2.2674 BFGS: 236 18:18:34 140.491279 2.2606 BFGS: 237 18:18:34 140.020586 2.2538 BFGS: 238 18:18:34 139.552055 2.2470 BFGS: 239 18:18:34 139.085702 2.2402 BFGS: 240 18:18:34 138.621546 2.2334 BFGS: 241 18:18:34 138.159603 2.2267 BFGS: 242 18:18:34 137.699889 2.2199 BFGS: 243 18:18:35 137.242420 2.2131 BFGS: 244 18:18:35 136.787212 2.2064 BFGS: 245 18:18:35 136.334279 2.1996 BFGS: 246 18:18:35 135.883635 2.1929 BFGS: 247 18:18:35 135.435294 2.1861 BFGS: 248 18:18:35 134.989270 2.1794 BFGS: 249 18:18:35 134.545574 2.1727 BFGS: 250 18:18:35 134.104218 2.1660 BFGS: 251 18:18:35 133.665191 2.1595 BFGS: 252 18:18:35 133.228447 2.1530 BFGS: 253 18:18:35 132.793994 2.1466 BFGS: 254 18:18:35 132.361842 2.1402 BFGS: 255 18:18:35 131.932003 2.1338 BFGS: 256 18:18:35 131.504484 2.1274 BFGS: 257 18:18:35 131.079291 2.1211 BFGS: 258 18:18:35 130.656372 2.1151 BFGS: 259 18:18:36 130.235735 2.1091 BFGS: 260 18:18:36 129.817387 2.1031 BFGS: 261 18:18:36 129.401339 2.0972 BFGS: 262 18:18:36 128.987598 2.0912 BFGS: 263 18:18:36 128.576172 2.0852 BFGS: 264 18:18:36 128.167068 2.0793 BFGS: 265 18:18:36 127.760200 2.0737 BFGS: 266 18:18:36 127.355517 2.0681 BFGS: 267 18:18:36 126.953024 2.0625 BFGS: 268 18:18:36 126.552728 2.0570 BFGS: 269 18:18:36 126.154634 2.0514 BFGS: 270 18:18:37 125.758749 2.0458 BFGS: 271 18:18:37 125.365077 2.0402 BFGS: 272 18:18:37 124.973622 2.0347 BFGS: 273 18:18:37 124.584388 2.0291 BFGS: 274 18:18:37 124.197377 2.0236 BFGS: 275 18:18:37 123.812593 2.0181 BFGS: 276 18:18:37 123.430038 2.0125 BFGS: 277 18:18:37 123.049712 2.0070 BFGS: 278 18:18:37 122.671618 2.0015 BFGS: 279 18:18:37 122.295755 1.9960 BFGS: 280 18:18:37 121.922122 1.9905 BFGS: 281 18:18:38 121.550720 1.9850 BFGS: 282 18:18:38 121.181547 1.9795 BFGS: 283 18:18:38 120.814601 1.9740 BFGS: 284 18:18:38 120.449880 1.9685 BFGS: 285 18:18:38 120.087381 1.9631 BFGS: 286 18:18:38 119.727101 1.9576 BFGS: 287 18:18:38 119.369035 1.9522 BFGS: 288 18:18:38 119.013179 1.9467 BFGS: 289 18:18:38 118.659528 1.9413 BFGS: 290 18:18:38 118.308077 1.9359 BFGS: 291 18:18:38 117.958820 1.9305 BFGS: 292 18:18:38 117.611750 1.9251 BFGS: 293 18:18:39 117.266861 1.9197 BFGS: 294 18:18:39 116.924145 1.9143 BFGS: 295 18:18:39 116.583595 1.9089 BFGS: 296 18:18:39 116.245202 1.9035 BFGS: 297 18:18:39 115.908958 1.8982 BFGS: 298 18:18:39 115.574853 1.8928 BFGS: 299 18:18:39 115.242879 1.8875 BFGS: 300 18:18:39 114.913025 1.8822 BFGS: 301 18:18:39 114.585281 1.8768 BFGS: 302 18:18:39 114.259637 1.8715 BFGS: 303 18:18:39 113.936081 1.8662 BFGS: 304 18:18:39 113.614600 1.8610 BFGS: 305 18:18:39 113.295082 1.8562 BFGS: 306 18:18:39 112.977478 1.8515 BFGS: 307 18:18:39 112.661777 1.8467 BFGS: 308 18:18:40 112.347970 1.8420 BFGS: 309 18:18:40 112.036048 1.8372 BFGS: 310 18:18:40 111.726000 1.8325 BFGS: 311 18:18:40 111.417815 1.8278 BFGS: 312 18:18:40 111.111483 1.8230 BFGS: 313 18:18:40 110.806993 1.8183 BFGS: 314 18:18:40 110.504334 1.8136 BFGS: 315 18:18:40 110.203493 1.8089 BFGS: 316 18:18:40 109.904460 1.8042 BFGS: 317 18:18:40 109.607222 1.7995 BFGS: 318 18:18:40 109.311767 1.7949 BFGS: 319 18:18:40 109.018082 1.7902 BFGS: 320 18:18:40 108.726156 1.7855 BFGS: 321 18:18:40 108.435935 1.7811 BFGS: 322 18:18:40 108.147344 1.7767 BFGS: 323 18:18:40 107.860369 1.7723 BFGS: 324 18:18:40 107.575001 1.7680 BFGS: 325 18:18:41 107.291229 1.7636 BFGS: 326 18:18:41 107.009040 1.7593 BFGS: 327 18:18:41 106.728426 1.7550 BFGS: 328 18:18:41 106.449388 1.7508 BFGS: 329 18:18:41 106.171918 1.7466 BFGS: 330 18:18:41 105.896003 1.7425 BFGS: 331 18:18:41 105.621630 1.7383 BFGS: 332 18:18:41 105.348785 1.7341 BFGS: 333 18:18:41 105.077455 1.7300 BFGS: 334 18:18:41 104.807627 1.7258 BFGS: 335 18:18:41 104.539288 1.7217 BFGS: 336 18:18:41 104.272406 1.7177 BFGS: 337 18:18:41 104.006897 1.7139 BFGS: 338 18:18:41 103.742741 1.7100 BFGS: 339 18:18:41 103.479928 1.7061 BFGS: 340 18:18:41 103.218444 1.7023 BFGS: 341 18:18:42 102.958279 1.6984 BFGS: 342 18:18:42 102.699421 1.6946 BFGS: 343 18:18:42 102.441859 1.6907 BFGS: 344 18:18:42 102.185582 1.6869 BFGS: 345 18:18:42 101.930578 1.6830 BFGS: 346 18:18:42 101.676836 1.6792 BFGS: 347 18:18:42 101.424344 1.6754 BFGS: 348 18:18:42 101.173092 1.6716 BFGS: 349 18:18:42 100.923069 1.6677 BFGS: 350 18:18:42 100.674262 1.6639 BFGS: 351 18:18:42 100.426662 1.6601 BFGS: 352 18:18:42 100.180256 1.6563 BFGS: 353 18:18:42 99.935035 1.6525 BFGS: 354 18:18:42 99.690987 1.6487 BFGS: 355 18:18:42 99.448101 1.6449 BFGS: 356 18:18:42 99.206366 1.6411 BFGS: 357 18:18:43 98.965772 1.6373 BFGS: 358 18:18:43 98.726309 1.6335 BFGS: 359 18:18:43 98.487964 1.6298 BFGS: 360 18:18:43 98.250729 1.6260 BFGS: 361 18:18:43 98.014592 1.6222 BFGS: 362 18:18:43 97.779543 1.6184 BFGS: 363 18:18:43 97.545571 1.6147 BFGS: 364 18:18:43 97.312667 1.6109 BFGS: 365 18:18:43 97.080821 1.6072 BFGS: 366 18:18:43 96.850021 1.6034 BFGS: 367 18:18:43 96.620259 1.5997 BFGS: 368 18:18:43 96.391524 1.5959 BFGS: 369 18:18:43 96.163806 1.5922 BFGS: 370 18:18:43 95.937096 1.5884 BFGS: 371 18:18:43 95.711383 1.5847 BFGS: 372 18:18:44 95.486659 1.5810 BFGS: 373 18:18:44 95.262913 1.5772 BFGS: 374 18:18:44 95.040137 1.5735 BFGS: 375 18:18:44 94.818321 1.5698 BFGS: 376 18:18:44 94.597455 1.5661 BFGS: 377 18:18:44 94.377531 1.5624 BFGS: 378 18:18:44 94.158539 1.5587 BFGS: 379 18:18:44 93.940470 1.5550 BFGS: 380 18:18:44 93.723316 1.5513 BFGS: 381 18:18:44 93.507068 1.5476 BFGS: 382 18:18:44 93.291716 1.5439 BFGS: 383 18:18:44 93.077253 1.5402 BFGS: 384 18:18:44 92.863669 1.5365 BFGS: 385 18:18:44 92.650957 1.5328 BFGS: 386 18:18:44 92.439107 1.5291 BFGS: 387 18:18:45 92.228112 1.5255 BFGS: 388 18:18:45 92.017963 1.5218 BFGS: 389 18:18:45 91.808652 1.5181 BFGS: 390 18:18:45 91.600172 1.5145 BFGS: 391 18:18:45 91.392513 1.5108 BFGS: 392 18:18:45 91.185670 1.5072 BFGS: 393 18:18:45 90.979632 1.5035 BFGS: 394 18:18:45 90.774394 1.4999 BFGS: 395 18:18:45 90.569948 1.4962 BFGS: 396 18:18:45 90.366285 1.4926 BFGS: 397 18:18:45 90.163399 1.4889 BFGS: 398 18:18:45 89.961282 1.4853 BFGS: 399 18:18:45 89.759927 1.4817 BFGS: 400 18:18:46 89.559327 1.4781 BFGS: 401 18:18:46 89.359475 1.4744 BFGS: 402 18:18:46 89.160364 1.4708 BFGS: 403 18:18:46 88.961986 1.4672 BFGS: 404 18:18:46 88.764332 1.4637 BFGS: 405 18:18:46 88.567410 1.4602 BFGS: 406 18:18:46 88.371212 1.4567 BFGS: 407 18:18:46 88.175732 1.4532 BFGS: 408 18:18:46 87.980963 1.4498 BFGS: 409 18:18:46 87.786897 1.4463 BFGS: 410 18:18:46 87.593528 1.4428 BFGS: 411 18:18:46 87.400850 1.4393 BFGS: 412 18:18:46 87.208856 1.4358 BFGS: 413 18:18:47 87.017538 1.4323 BFGS: 414 18:18:47 86.826892 1.4289 BFGS: 415 18:18:47 86.636864 1.4258 BFGS: 416 18:18:47 86.447404 1.4227 BFGS: 417 18:18:47 86.258508 1.4196 BFGS: 418 18:18:47 86.070171 1.4166 BFGS: 419 18:18:47 85.882387 1.4135 BFGS: 420 18:18:47 85.695152 1.4104 BFGS: 421 18:18:47 85.508460 1.4074 BFGS: 422 18:18:47 85.322307 1.4043 BFGS: 423 18:18:47 85.136689 1.4013 BFGS: 424 18:18:47 84.951600 1.3982 BFGS: 425 18:18:47 84.767035 1.3952 BFGS: 426 18:18:47 84.582981 1.3922 BFGS: 427 18:18:47 84.399431 1.3892 BFGS: 428 18:18:48 84.216382 1.3863 BFGS: 429 18:18:48 84.033829 1.3833 BFGS: 430 18:18:48 83.851768 1.3803 BFGS: 431 18:18:48 83.670194 1.3774 BFGS: 432 18:18:48 83.489104 1.3744 BFGS: 433 18:18:48 83.308492 1.3715 BFGS: 434 18:18:48 83.128356 1.3685 BFGS: 435 18:18:48 82.948692 1.3656 BFGS: 436 18:18:48 82.769495 1.3626 BFGS: 437 18:18:48 82.590763 1.3597 BFGS: 438 18:18:48 82.412490 1.3568 BFGS: 439 18:18:48 82.234675 1.3538 BFGS: 440 18:18:48 82.057313 1.3509 BFGS: 441 18:18:48 81.880402 1.3480 BFGS: 442 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53.545332 0.8804 BFGS: 637 18:19:07 53.425153 0.8784 BFGS: 638 18:19:07 53.305224 0.8764 BFGS: 639 18:19:07 53.185544 0.8744 BFGS: 640 18:19:07 53.066113 0.8723 BFGS: 641 18:19:07 52.946932 0.8703 BFGS: 642 18:19:07 52.828001 0.8683 BFGS: 643 18:19:07 52.709321 0.8663 BFGS: 644 18:19:07 52.590890 0.8643 BFGS: 645 18:19:08 52.472710 0.8623 BFGS: 646 18:19:08 52.354782 0.8602 BFGS: 647 18:19:08 52.237104 0.8582 BFGS: 648 18:19:08 52.119677 0.8562 BFGS: 649 18:19:08 52.002503 0.8542 BFGS: 650 18:19:08 51.885578 0.8523 BFGS: 651 18:19:08 51.768875 0.8505 BFGS: 652 18:19:08 51.652358 0.8487 BFGS: 653 18:19:08 51.536029 0.8469 BFGS: 654 18:19:08 51.419889 0.8451 BFGS: 655 18:19:08 51.303936 0.8433 BFGS: 656 18:19:08 51.188172 0.8415 BFGS: 657 18:19:08 51.072598 0.8397 BFGS: 658 18:19:08 50.957213 0.8379 BFGS: 659 18:19:08 50.842019 0.8361 BFGS: 660 18:19:08 50.727014 0.8343 BFGS: 661 18:19:09 50.612201 0.8325 BFGS: 662 18:19:09 50.497579 0.8307 BFGS: 663 18:19:09 50.383149 0.8290 BFGS: 664 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0.5854 BFGS: 831 18:19:19 33.990488 0.5842 BFGS: 832 18:19:19 33.909111 0.5830 BFGS: 833 18:19:19 33.827910 0.5818 BFGS: 834 18:19:19 33.746885 0.5806 BFGS: 835 18:19:19 33.666036 0.5794 BFGS: 836 18:19:19 33.585362 0.5782 BFGS: 837 18:19:20 33.504864 0.5770 BFGS: 838 18:19:20 33.424541 0.5758 BFGS: 839 18:19:20 33.344392 0.5746 BFGS: 840 18:19:20 33.264418 0.5734 BFGS: 841 18:19:20 33.184617 0.5722 BFGS: 842 18:19:20 33.104991 0.5710 BFGS: 843 18:19:20 33.025537 0.5698 BFGS: 844 18:19:20 32.946257 0.5686 BFGS: 845 18:19:20 32.867149 0.5674 BFGS: 846 18:19:20 32.788214 0.5662 BFGS: 847 18:19:20 32.709451 0.5651 BFGS: 848 18:19:20 32.630860 0.5639 BFGS: 849 18:19:20 32.552440 0.5627 BFGS: 850 18:19:20 32.474191 0.5615 BFGS: 851 18:19:20 32.396113 0.5603 BFGS: 852 18:19:20 32.318206 0.5591 BFGS: 853 18:19:20 32.240469 0.5580 BFGS: 854 18:19:21 32.162902 0.5568 BFGS: 855 18:19:21 32.085505 0.5556 BFGS: 856 18:19:21 32.008277 0.5544 BFGS: 857 18:19:21 31.931218 0.5533 BFGS: 858 18:19:21 31.854327 0.5521 BFGS: 859 18:19:21 31.777605 0.5509 BFGS: 860 18:19:21 31.701052 0.5498 BFGS: 861 18:19:21 31.624665 0.5486 BFGS: 862 18:19:21 31.548447 0.5474 BFGS: 863 18:19:21 31.472395 0.5463 BFGS: 864 18:19:21 31.396511 0.5451 BFGS: 865 18:19:21 31.320793 0.5439 BFGS: 866 18:19:21 31.245241 0.5428 BFGS: 867 18:19:21 31.169855 0.5416 BFGS: 868 18:19:21 31.094635 0.5405 BFGS: 869 18:19:21 31.019580 0.5393 BFGS: 870 18:19:21 30.944691 0.5382 BFGS: 871 18:19:22 30.869966 0.5370 BFGS: 872 18:19:22 30.795405 0.5359 BFGS: 873 18:19:22 30.721009 0.5347 BFGS: 874 18:19:22 30.646776 0.5336 BFGS: 875 18:19:22 30.572707 0.5324 BFGS: 876 18:19:22 30.498801 0.5313 BFGS: 877 18:19:22 30.425058 0.5301 BFGS: 878 18:19:22 30.351478 0.5290 BFGS: 879 18:19:22 30.278060 0.5279 BFGS: 880 18:19:22 30.204805 0.5267 BFGS: 881 18:19:22 30.131710 0.5256 BFGS: 882 18:19:22 30.058778 0.5244 BFGS: 883 18:19:22 29.986006 0.5233 BFGS: 884 18:19:22 29.913396 0.5222 BFGS: 885 18:19:22 29.840946 0.5210 BFGS: 886 18:19:22 29.768656 0.5199 BFGS: 887 18:19:22 29.696526 0.5188 BFGS: 888 18:19:23 29.624556 0.5177 BFGS: 889 18:19:23 29.552745 0.5165 BFGS: 890 18:19:23 29.481093 0.5154 BFGS: 891 18:19:23 29.409601 0.5143 BFGS: 892 18:19:23 29.338266 0.5132 BFGS: 893 18:19:23 29.267090 0.5121 BFGS: 894 18:19:23 29.196072 0.5109 BFGS: 895 18:19:23 29.125211 0.5098 BFGS: 896 18:19:23 29.054508 0.5087 BFGS: 897 18:19:23 28.983962 0.5076 BFGS: 898 18:19:23 28.913572 0.5065 BFGS: 899 18:19:23 28.843339 0.5054 BFGS: 900 18:19:23 28.773263 0.5043 BFGS: 901 18:19:23 28.703342 0.5032 BFGS: 902 18:19:23 28.633577 0.5020 BFGS: 903 18:19:23 28.563967 0.5009 BFGS: 904 18:19:23 28.494512 0.4998 BFGS: 905 18:19:24 28.425212 0.4987 BFGS: 906 18:19:24 28.356066 0.4976 BFGS: 907 18:19:24 28.287075 0.4965 BFGS: 908 18:19:24 28.218238 0.4954 BFGS: 909 18:19:24 28.149554 0.4943 BFGS: 910 18:19:24 28.081023 0.4932 BFGS: 911 18:19:24 28.012646 0.4922 BFGS: 912 18:19:24 27.944421 0.4911 BFGS: 913 18:19:24 27.876349 0.4900 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0.4600 BFGS: 942 18:19:26 25.967371 0.4590 BFGS: 943 18:19:26 25.903748 0.4579 BFGS: 944 18:19:26 25.840269 0.4569 BFGS: 945 18:19:26 25.776933 0.4558 BFGS: 946 18:19:26 25.713742 0.4548 BFGS: 947 18:19:26 25.650694 0.4537 BFGS: 948 18:19:26 25.587788 0.4527 BFGS: 949 18:19:26 25.525026 0.4516 BFGS: 950 18:19:26 25.462407 0.4506 BFGS: 951 18:19:26 25.399929 0.4496 BFGS: 952 18:19:26 25.337594 0.4485 BFGS: 953 18:19:26 25.275401 0.4475 BFGS: 954 18:19:27 25.213349 0.4465 BFGS: 955 18:19:27 25.151439 0.4454 BFGS: 956 18:19:27 25.089670 0.4444 BFGS: 957 18:19:27 25.028041 0.4434 BFGS: 958 18:19:27 24.966553 0.4423 BFGS: 959 18:19:27 24.905206 0.4413 BFGS: 960 18:19:27 24.843999 0.4403 BFGS: 961 18:19:27 24.782931 0.4392 BFGS: 962 18:19:27 24.722003 0.4382 BFGS: 963 18:19:27 24.661215 0.4372 BFGS: 964 18:19:27 24.600565 0.4362 BFGS: 965 18:19:27 24.540055 0.4352 BFGS: 966 18:19:27 24.479683 0.4341 BFGS: 967 18:19:27 24.419449 0.4331 BFGS: 968 18:19:27 24.359353 0.4321 BFGS: 969 18:19:27 24.299396 0.4311 BFGS: 970 18:19:28 24.239576 0.4301 BFGS: 971 18:19:28 24.179893 0.4291 BFGS: 972 18:19:28 24.120348 0.4281 BFGS: 973 18:19:28 24.060939 0.4270 BFGS: 974 18:19:28 24.001667 0.4260 BFGS: 975 18:19:28 23.942532 0.4250 BFGS: 976 18:19:28 23.883532 0.4240 BFGS: 977 18:19:28 23.824669 0.4230 BFGS: 978 18:19:28 23.765942 0.4220 BFGS: 979 18:19:28 23.707349 0.4210 BFGS: 980 18:19:28 23.648892 0.4200 BFGS: 981 18:19:28 23.590571 0.4190 BFGS: 982 18:19:28 23.532383 0.4180 BFGS: 983 18:19:28 23.474331 0.4170 BFGS: 984 18:19:28 23.416412 0.4160 BFGS: 985 18:19:28 23.358628 0.4150 BFGS: 986 18:19:28 23.300978 0.4140 BFGS: 987 18:19:29 23.243461 0.4130 BFGS: 988 18:19:29 23.186077 0.4121 BFGS: 989 18:19:29 23.128827 0.4111 BFGS: 990 18:19:29 23.071709 0.4101 BFGS: 991 18:19:29 23.014724 0.4091 BFGS: 992 18:19:29 22.957872 0.4081 BFGS: 993 18:19:29 22.901152 0.4071 BFGS: 994 18:19:29 22.844564 0.4061 BFGS: 995 18:19:29 22.788107 0.4052 BFGS: 996 18:19:29 22.731782 0.4042 BFGS: 997 18:19:29 22.675588 0.4032 BFGS: 998 18:19:29 22.619521 0.4023 BFGS: 999 18:19:29 22.563581 0.4014 BFGS: 1000 18:19:29 22.507766 0.4005 BFGS: 1001 18:19:29 22.452077 0.3996 BFGS: 1002 18:19:29 22.396514 0.3987 BFGS: 1003 18:19:29 22.341075 0.3978 BFGS: 1004 18:19:30 22.285761 0.3968 BFGS: 1005 18:19:30 22.230571 0.3959 BFGS: 1006 18:19:30 22.175505 0.3950 BFGS: 1007 18:19:30 22.120563 0.3941 BFGS: 1008 18:19:30 22.065745 0.3932 BFGS: 1009 18:19:30 22.011049 0.3923 BFGS: 1010 18:19:30 21.956477 0.3914 BFGS: 1011 18:19:30 21.902027 0.3905 BFGS: 1012 18:19:30 21.847699 0.3896 BFGS: 1013 18:19:30 21.793494 0.3887 BFGS: 1014 18:19:30 21.739410 0.3878 BFGS: 1015 18:19:30 21.685448 0.3869 BFGS: 1016 18:19:30 21.631607 0.3861 BFGS: 1017 18:19:30 21.577887 0.3852 BFGS: 1018 18:19:30 21.524283 0.3843 BFGS: 1019 18:19:30 21.470794 0.3835 BFGS: 1020 18:19:31 21.417421 0.3827 BFGS: 1021 18:19:31 21.364164 0.3819 BFGS: 1022 18:19:31 21.311022 0.3810 BFGS: 1023 18:19:31 21.257995 0.3802 BFGS: 1024 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18:19:39 15.006865 0.2812 BFGS: 1160 18:19:39 14.966978 0.2806 BFGS: 1161 18:19:39 14.927165 0.2800 BFGS: 1162 18:19:39 14.887427 0.2793 BFGS: 1163 18:19:39 14.847764 0.2787 BFGS: 1164 18:19:39 14.808175 0.2781 BFGS: 1165 18:19:39 14.768661 0.2775 BFGS: 1166 18:19:39 14.729222 0.2769 BFGS: 1167 18:19:39 14.689857 0.2763 BFGS: 1168 18:19:39 14.650565 0.2757 BFGS: 1169 18:19:40 14.611348 0.2751 BFGS: 1170 18:19:40 14.572205 0.2745 BFGS: 1171 18:19:40 14.533135 0.2739 BFGS: 1172 18:19:40 14.494139 0.2733 BFGS: 1173 18:19:40 14.455217 0.2727 BFGS: 1174 18:19:40 14.416368 0.2721 BFGS: 1175 18:19:40 14.377593 0.2715 BFGS: 1176 18:19:40 14.338890 0.2709 BFGS: 1177 18:19:40 14.300261 0.2703 BFGS: 1178 18:19:40 14.261704 0.2697 BFGS: 1179 18:19:40 14.223220 0.2691 BFGS: 1180 18:19:40 14.184809 0.2685 BFGS: 1181 18:19:40 14.146471 0.2679 BFGS: 1182 18:19:40 14.108205 0.2673 BFGS: 1183 18:19:40 14.070011 0.2667 BFGS: 1184 18:19:40 14.031890 0.2661 BFGS: 1185 18:19:40 13.993841 0.2655 BFGS: 1186 18:19:41 13.955863 0.2649 BFGS: 1187 18:19:41 13.917958 0.2643 BFGS: 1188 18:19:41 13.880124 0.2637 BFGS: 1189 18:19:41 13.842362 0.2631 BFGS: 1190 18:19:41 13.804671 0.2625 BFGS: 1191 18:19:41 13.767052 0.2619 BFGS: 1192 18:19:41 13.729504 0.2613 BFGS: 1193 18:19:41 13.692027 0.2607 BFGS: 1194 18:19:41 13.654622 0.2602 BFGS: 1195 18:19:41 13.617287 0.2596 BFGS: 1196 18:19:41 13.580023 0.2590 BFGS: 1197 18:19:41 13.542829 0.2584 BFGS: 1198 18:19:41 13.505707 0.2578 BFGS: 1199 18:19:41 13.468654 0.2572 BFGS: 1200 18:19:41 13.431673 0.2566 BFGS: 1201 18:19:41 13.394761 0.2561 BFGS: 1202 18:19:41 13.357919 0.2555 BFGS: 1203 18:19:42 13.321148 0.2549 BFGS: 1204 18:19:42 13.284446 0.2543 BFGS: 1205 18:19:42 13.247814 0.2537 BFGS: 1206 18:19:42 13.211252 0.2532 BFGS: 1207 18:19:42 13.174760 0.2526 BFGS: 1208 18:19:42 13.138336 0.2520 BFGS: 1209 18:19:42 13.101983 0.2514 BFGS: 1210 18:19:42 13.065698 0.2508 BFGS: 1211 18:19:42 13.029482 0.2503 BFGS: 1212 18:19:42 12.993336 0.2497 BFGS: 1213 18:19:42 12.957258 0.2491 BFGS: 1214 18:19:42 12.921249 0.2485 BFGS: 1215 18:19:42 12.885309 0.2480 BFGS: 1216 18:19:42 12.849437 0.2474 BFGS: 1217 18:19:42 12.813634 0.2468 BFGS: 1218 18:19:42 12.777899 0.2462 BFGS: 1219 18:19:42 12.742232 0.2457 BFGS: 1220 18:19:43 12.706634 0.2451 BFGS: 1221 18:19:43 12.671103 0.2445 BFGS: 1222 18:19:43 12.635640 0.2440 BFGS: 1223 18:19:43 12.600245 0.2434 BFGS: 1224 18:19:43 12.564918 0.2428 BFGS: 1225 18:19:43 12.529658 0.2423 BFGS: 1226 18:19:43 12.494466 0.2417 BFGS: 1227 18:19:43 12.459341 0.2411 BFGS: 1228 18:19:43 12.424283 0.2406 BFGS: 1229 18:19:43 12.389292 0.2400 BFGS: 1230 18:19:43 12.354369 0.2394 BFGS: 1231 18:19:43 12.319512 0.2389 BFGS: 1232 18:19:43 12.284722 0.2383 BFGS: 1233 18:19:43 12.249999 0.2377 BFGS: 1234 18:19:43 12.215342 0.2372 BFGS: 1235 18:19:43 12.180751 0.2366 BFGS: 1236 18:19:44 12.146227 0.2361 BFGS: 1237 18:19:44 12.111768 0.2355 BFGS: 1238 18:19:44 12.077368 0.2351 BFGS: 1239 18:19:44 12.043035 0.2346 BFGS: 1240 18:19:44 12.008768 0.2342 BFGS: 1241 18:19:44 11.974567 0.2337 BFGS: 1242 18:19:44 11.940432 0.2333 BFGS: 1243 18:19:44 11.906362 0.2328 BFGS: 1244 18:19:44 11.872358 0.2324 BFGS: 1245 18:19:44 11.838420 0.2319 BFGS: 1246 18:19:44 11.804546 0.2315 BFGS: 1247 18:19:44 11.770738 0.2311 BFGS: 1248 18:19:44 11.736995 0.2306 BFGS: 1249 18:19:44 11.703317 0.2302 BFGS: 1250 18:19:44 11.669704 0.2297 BFGS: 1251 18:19:45 11.636156 0.2293 BFGS: 1252 18:19:45 11.602671 0.2288 BFGS: 1253 18:19:45 11.569252 0.2284 BFGS: 1254 18:19:45 11.535896 0.2279 BFGS: 1255 18:19:45 11.502605 0.2275 BFGS: 1256 18:19:45 11.469378 0.2271 BFGS: 1257 18:19:45 11.436215 0.2266 BFGS: 1258 18:19:45 11.403116 0.2262 BFGS: 1259 18:19:45 11.370080 0.2257 BFGS: 1260 18:19:45 11.337108 0.2253 BFGS: 1261 18:19:45 11.304199 0.2249 BFGS: 1262 18:19:45 11.271354 0.2244 BFGS: 1263 18:19:45 11.238572 0.2240 BFGS: 1264 18:19:45 11.205853 0.2236 BFGS: 1265 18:19:45 11.173197 0.2231 BFGS: 1266 18:19:45 11.140604 0.2227 BFGS: 1267 18:19:45 11.108073 0.2222 BFGS: 1268 18:19:46 11.075606 0.2218 BFGS: 1269 18:19:46 11.043201 0.2214 BFGS: 1270 18:19:46 11.010858 0.2209 BFGS: 1271 18:19:46 10.978578 0.2205 BFGS: 1272 18:19:46 10.946360 0.2201 BFGS: 1273 18:19:46 10.914204 0.2196 BFGS: 1274 18:19:46 10.882110 0.2192 BFGS: 1275 18:19:46 10.850078 0.2188 BFGS: 1276 18:19:46 10.818108 0.2184 BFGS: 1277 18:19:46 10.786200 0.2179 BFGS: 1278 18:19:46 10.754353 0.2175 BFGS: 1279 18:19:46 10.722568 0.2171 BFGS: 1280 18:19:46 10.690844 0.2166 BFGS: 1281 18:19:46 10.659182 0.2162 BFGS: 1282 18:19:46 10.627581 0.2158 BFGS: 1283 18:19:46 10.596041 0.2154 BFGS: 1284 18:19:47 10.564562 0.2149 BFGS: 1285 18:19:47 10.533143 0.2145 BFGS: 1286 18:19:47 10.501786 0.2141 BFGS: 1287 18:19:47 10.470490 0.2137 BFGS: 1288 18:19:47 10.439254 0.2132 BFGS: 1289 18:19:47 10.408079 0.2128 BFGS: 1290 18:19:47 10.376964 0.2124 BFGS: 1291 18:19:47 10.345910 0.2120 BFGS: 1292 18:19:47 10.314916 0.2115 BFGS: 1293 18:19:47 10.283982 0.2111 BFGS: 1294 18:19:47 10.253108 0.2107 BFGS: 1295 18:19:47 10.222295 0.2103 BFGS: 1296 18:19:47 10.191541 0.2099 BFGS: 1297 18:19:47 10.160847 0.2094 BFGS: 1298 18:19:47 10.130213 0.2090 BFGS: 1299 18:19:47 10.099638 0.2086 BFGS: 1300 18:19:48 10.069124 0.2082 BFGS: 1301 18:19:48 10.038668 0.2078 BFGS: 1302 18:19:48 10.008273 0.2073 BFGS: 1303 18:19:48 9.977936 0.2069 BFGS: 1304 18:19:48 9.947659 0.2065 BFGS: 1305 18:19:48 9.917441 0.2061 BFGS: 1306 18:19:48 9.887282 0.2057 BFGS: 1307 18:19:48 9.857182 0.2053 BFGS: 1308 18:19:48 9.827141 0.2048 BFGS: 1309 18:19:48 9.797159 0.2044 BFGS: 1310 18:19:48 9.767236 0.2040 BFGS: 1311 18:19:48 9.737371 0.2036 BFGS: 1312 18:19:48 9.707565 0.2032 BFGS: 1313 18:19:48 9.677818 0.2028 BFGS: 1314 18:19:48 9.648129 0.2024 BFGS: 1315 18:19:48 9.618498 0.2020 BFGS: 1316 18:19:49 9.588926 0.2015 BFGS: 1317 18:19:49 9.559412 0.2011 BFGS: 1318 18:19:49 9.529957 0.2007 BFGS: 1319 18:19:49 9.500559 0.2003 BFGS: 1320 18:19:49 9.471219 0.1999 BFGS: 1321 18:19:49 9.441938 0.1995 BFGS: 1322 18:19:49 9.412714 0.1991 BFGS: 1323 18:19:49 9.383548 0.1987 BFGS: 1324 18:19:49 9.354440 0.1983 BFGS: 1325 18:19:49 9.325389 0.1979 BFGS: 1326 18:19:49 9.296396 0.1975 BFGS: 1327 18:19:49 9.267461 0.1971 BFGS: 1328 18:19:49 9.238583 0.1966 BFGS: 1329 18:19:49 9.209762 0.1962 BFGS: 1330 18:19:49 9.180999 0.1958 BFGS: 1331 18:19:49 9.152293 0.1954 BFGS: 1332 18:19:49 9.123644 0.1950 BFGS: 1333 18:19:50 9.095053 0.1946 BFGS: 1334 18:19:50 9.066518 0.1942 BFGS: 1335 18:19:50 9.038040 0.1938 BFGS: 1336 18:19:50 9.009619 0.1934 BFGS: 1337 18:19:50 8.981255 0.1930 BFGS: 1338 18:19:50 8.952948 0.1926 BFGS: 1339 18:19:50 8.924698 0.1922 BFGS: 1340 18:19:50 8.896504 0.1918 BFGS: 1341 18:19:50 8.868367 0.1914 BFGS: 1342 18:19:50 8.840286 0.1910 BFGS: 1343 18:19:50 8.812262 0.1906 BFGS: 1344 18:19:50 8.784294 0.1902 BFGS: 1345 18:19:50 8.756382 0.1898 BFGS: 1346 18:19:50 8.728527 0.1894 BFGS: 1347 18:19:50 8.700728 0.1890 BFGS: 1348 18:19:50 8.672985 0.1886 BFGS: 1349 18:19:51 8.645298 0.1882 BFGS: 1350 18:19:51 8.617667 0.1878 BFGS: 1351 18:19:51 8.590092 0.1874 BFGS: 1352 18:19:51 8.562573 0.1870 BFGS: 1353 18:19:51 8.535109 0.1866 BFGS: 1354 18:19:51 8.507702 0.1863 BFGS: 1355 18:19:51 8.480350 0.1859 BFGS: 1356 18:19:51 8.453054 0.1855 BFGS: 1357 18:19:51 8.425813 0.1851 BFGS: 1358 18:19:51 8.398628 0.1847 BFGS: 1359 18:19:51 8.371498 0.1843 BFGS: 1360 18:19:51 8.344424 0.1839 BFGS: 1361 18:19:51 8.317405 0.1835 BFGS: 1362 18:19:51 8.290441 0.1831 BFGS: 1363 18:19:51 8.263533 0.1827 BFGS: 1364 18:19:51 8.236679 0.1823 BFGS: 1365 18:19:52 8.209881 0.1819 BFGS: 1366 18:19:52 8.183138 0.1815 BFGS: 1367 18:19:52 8.156450 0.1812 BFGS: 1368 18:19:52 8.129817 0.1808 BFGS: 1369 18:19:52 8.103238 0.1804 BFGS: 1370 18:19:52 8.076715 0.1800 BFGS: 1371 18:19:52 8.050246 0.1796 BFGS: 1372 18:19:52 8.023832 0.1792 BFGS: 1373 18:19:52 7.997472 0.1788 BFGS: 1374 18:19:52 7.971167 0.1784 BFGS: 1375 18:19:52 7.944917 0.1781 BFGS: 1376 18:19:52 7.918721 0.1777 BFGS: 1377 18:19:52 7.892579 0.1773 BFGS: 1378 18:19:52 7.866492 0.1769 BFGS: 1379 18:19:52 7.840459 0.1765 BFGS: 1380 18:19:52 7.814481 0.1761 BFGS: 1381 18:19:52 7.788556 0.1758 BFGS: 1382 18:19:53 7.762686 0.1754 BFGS: 1383 18:19:53 7.736870 0.1750 BFGS: 1384 18:19:53 7.711107 0.1746 BFGS: 1385 18:19:53 7.685399 0.1742 BFGS: 1386 18:19:53 7.659745 0.1738 BFGS: 1387 18:19:53 7.634144 0.1735 BFGS: 1388 18:19:53 7.608598 0.1731 BFGS: 1389 18:19:53 7.583105 0.1727 BFGS: 1390 18:19:53 7.557666 0.1723 BFGS: 1391 18:19:53 7.532280 0.1719 BFGS: 1392 18:19:53 7.506948 0.1716 BFGS: 1393 18:19:53 7.481670 0.1712 BFGS: 1394 18:19:53 7.456445 0.1708 BFGS: 1395 18:19:53 7.431273 0.1704 BFGS: 1396 18:19:53 7.406155 0.1700 BFGS: 1397 18:19:53 7.381090 0.1697 BFGS: 1398 18:19:54 7.356079 0.1693 BFGS: 1399 18:19:54 7.331121 0.1689 BFGS: 1400 18:19:54 7.306215 0.1685 BFGS: 1401 18:19:54 7.281363 0.1682 BFGS: 1402 18:19:54 7.256564 0.1678 BFGS: 1403 18:19:54 7.231819 0.1674 BFGS: 1404 18:19:54 7.207126 0.1670 BFGS: 1405 18:19:54 7.182485 0.1667 BFGS: 1406 18:19:54 7.157898 0.1663 BFGS: 1407 18:19:54 7.133364 0.1659 BFGS: 1408 18:19:54 7.108882 0.1655 BFGS: 1409 18:19:54 7.084453 0.1652 BFGS: 1410 18:19:54 7.060077 0.1648 BFGS: 1411 18:19:54 7.035753 0.1644 BFGS: 1412 18:19:54 7.011482 0.1641 BFGS: 1413 18:19:54 6.987263 0.1637 BFGS: 1414 18:19:55 6.963097 0.1633 BFGS: 1415 18:19:55 6.938983 0.1629 BFGS: 1416 18:19:55 6.914922 0.1626 BFGS: 1417 18:19:55 6.890913 0.1622 BFGS: 1418 18:19:55 6.866956 0.1618 BFGS: 1419 18:19:55 6.843051 0.1615 BFGS: 1420 18:19:55 6.819198 0.1611 BFGS: 1421 18:19:55 6.795398 0.1608 BFGS: 1422 18:19:55 6.771650 0.1606 BFGS: 1423 18:19:55 6.747953 0.1603 BFGS: 1424 18:19:55 6.724309 0.1600 BFGS: 1425 18:19:55 6.700716 0.1597 BFGS: 1426 18:19:55 6.677175 0.1594 BFGS: 1427 18:19:55 6.653686 0.1591 BFGS: 1428 18:19:55 6.630249 0.1589 BFGS: 1429 18:19:55 6.606864 0.1586 BFGS: 1430 18:19:56 6.583530 0.1583 BFGS: 1431 18:19:56 6.560247 0.1580 BFGS: 1432 18:19:56 6.537017 0.1577 BFGS: 1433 18:19:56 6.513838 0.1574 BFGS: 1434 18:19:56 6.490710 0.1572 BFGS: 1435 18:19:56 6.467633 0.1569 BFGS: 1436 18:19:56 6.444608 0.1566 BFGS: 1437 18:19:56 6.421635 0.1563 BFGS: 1438 18:19:56 6.398712 0.1560 BFGS: 1439 18:19:56 6.375841 0.1558 BFGS: 1440 18:19:56 6.353021 0.1555 BFGS: 1441 18:19:56 6.330252 0.1552 BFGS: 1442 18:19:56 6.307534 0.1549 BFGS: 1443 18:19:56 6.284867 0.1546 BFGS: 1444 18:19:56 6.262252 0.1544 BFGS: 1445 18:19:56 6.239687 0.1541 BFGS: 1446 18:19:56 6.217173 0.1538 BFGS: 1447 18:19:56 6.194709 0.1535 BFGS: 1448 18:19:57 6.172297 0.1533 BFGS: 1449 18:19:57 6.149935 0.1530 BFGS: 1450 18:19:57 6.127624 0.1527 BFGS: 1451 18:19:57 6.105364 0.1524 BFGS: 1452 18:19:57 6.083154 0.1522 BFGS: 1453 18:19:57 6.060995 0.1519 BFGS: 1454 18:19:57 6.038886 0.1516 BFGS: 1455 18:19:57 6.016828 0.1513 BFGS: 1456 18:19:57 5.994820 0.1511 BFGS: 1457 18:19:57 5.972862 0.1508 BFGS: 1458 18:19:57 5.950955 0.1505 BFGS: 1459 18:19:57 5.929098 0.1502 BFGS: 1460 18:19:57 5.907291 0.1500 BFGS: 1461 18:19:57 5.885535 0.1497 BFGS: 1462 18:19:57 5.863828 0.1494 BFGS: 1463 18:19:57 5.842172 0.1492 BFGS: 1464 18:19:57 5.820565 0.1489 BFGS: 1465 18:19:57 5.799009 0.1486 BFGS: 1466 18:19:58 5.777502 0.1483 BFGS: 1467 18:19:58 5.756046 0.1481 BFGS: 1468 18:19:58 5.734639 0.1478 BFGS: 1469 18:19:58 5.713282 0.1475 BFGS: 1470 18:19:58 5.691975 0.1473 BFGS: 1471 18:19:58 5.670717 0.1470 BFGS: 1472 18:19:58 5.649510 0.1467 BFGS: 1473 18:19:58 5.628351 0.1465 BFGS: 1474 18:19:58 5.607243 0.1462 BFGS: 1475 18:19:58 5.586183 0.1459 BFGS: 1476 18:19:58 5.565174 0.1457 BFGS: 1477 18:19:58 5.544214 0.1454 BFGS: 1478 18:19:58 5.523303 0.1451 BFGS: 1479 18:19:58 5.502441 0.1449 BFGS: 1480 18:19:58 5.481629 0.1446 BFGS: 1481 18:19:58 5.460866 0.1443 BFGS: 1482 18:19:58 5.440152 0.1441 BFGS: 1483 18:19:58 5.419488 0.1438 BFGS: 1484 18:19:58 5.398872 0.1435 BFGS: 1485 18:19:59 5.378306 0.1433 BFGS: 1486 18:19:59 5.357788 0.1430 BFGS: 1487 18:19:59 5.337320 0.1427 BFGS: 1488 18:19:59 5.316900 0.1425 BFGS: 1489 18:19:59 5.296529 0.1422 BFGS: 1490 18:19:59 5.276208 0.1420 BFGS: 1491 18:19:59 5.255935 0.1417 BFGS: 1492 18:19:59 5.235710 0.1414 BFGS: 1493 18:19:59 5.215535 0.1412 BFGS: 1494 18:19:59 5.195408 0.1409 BFGS: 1495 18:19:59 5.175329 0.1406 BFGS: 1496 18:19:59 5.155300 0.1404 BFGS: 1497 18:19:59 5.135319 0.1401 BFGS: 1498 18:19:59 5.115386 0.1399 BFGS: 1499 18:19:59 5.095501 0.1396 BFGS: 1500 18:19:59 5.075666 0.1393 BFGS: 1501 18:19:59 5.055878 0.1391 BFGS: 1502 18:19:59 5.036139 0.1388 BFGS: 1503 18:20:00 5.016448 0.1386 BFGS: 1504 18:20:00 4.996805 0.1383 BFGS: 1505 18:20:00 4.977210 0.1380 BFGS: 1506 18:20:00 4.957664 0.1378 BFGS: 1507 18:20:00 4.938165 0.1375 BFGS: 1508 18:20:00 4.918715 0.1373 BFGS: 1509 18:20:00 4.899313 0.1370 BFGS: 1510 18:20:00 4.879958 0.1368 BFGS: 1511 18:20:00 4.860652 0.1365 BFGS: 1512 18:20:00 4.841393 0.1363 BFGS: 1513 18:20:00 4.822182 0.1360 BFGS: 1514 18:20:00 4.803019 0.1357 BFGS: 1515 18:20:00 4.783904 0.1355 BFGS: 1516 18:20:00 4.764836 0.1352 BFGS: 1517 18:20:00 4.745816 0.1350 BFGS: 1518 18:20:00 4.726843 0.1347 BFGS: 1519 18:20:00 4.707919 0.1345 BFGS: 1520 18:20:01 4.689041 0.1342 BFGS: 1521 18:20:01 4.670211 0.1340 BFGS: 1522 18:20:01 4.651429 0.1337 BFGS: 1523 18:20:01 4.632694 0.1335 BFGS: 1524 18:20:01 4.614006 0.1332 BFGS: 1525 18:20:01 4.595365 0.1330 BFGS: 1526 18:20:01 4.576772 0.1327 BFGS: 1527 18:20:01 4.558226 0.1325 BFGS: 1528 18:20:01 4.539727 0.1322 BFGS: 1529 18:20:01 4.521276 0.1320 BFGS: 1530 18:20:01 4.502871 0.1317 BFGS: 1531 18:20:01 4.484513 0.1315 BFGS: 1532 18:20:01 4.466203 0.1312 BFGS: 1533 18:20:01 4.447939 0.1310 BFGS: 1534 18:20:01 4.429722 0.1307 BFGS: 1535 18:20:01 4.411552 0.1305 BFGS: 1536 18:20:02 4.393429 0.1302 BFGS: 1537 18:20:02 4.375353 0.1300 BFGS: 1538 18:20:02 4.357323 0.1297 BFGS: 1539 18:20:02 4.339340 0.1295 BFGS: 1540 18:20:02 4.321404 0.1292 BFGS: 1541 18:20:02 4.303515 0.1290 BFGS: 1542 18:20:02 4.285672 0.1287 BFGS: 1543 18:20:02 4.267875 0.1285 BFGS: 1544 18:20:02 4.250125 0.1282 BFGS: 1545 18:20:02 4.232421 0.1280 BFGS: 1546 18:20:02 4.214764 0.1277 BFGS: 1547 18:20:02 4.197153 0.1275 BFGS: 1548 18:20:02 4.179589 0.1272 BFGS: 1549 18:20:02 4.162070 0.1270 BFGS: 1550 18:20:02 4.144598 0.1268 BFGS: 1551 18:20:02 4.127173 0.1265 BFGS: 1552 18:20:02 4.109793 0.1263 BFGS: 1553 18:20:02 4.092459 0.1260 BFGS: 1554 18:20:03 4.075172 0.1258 BFGS: 1555 18:20:03 4.057930 0.1255 BFGS: 1556 18:20:03 4.040735 0.1253 BFGS: 1557 18:20:03 4.023585 0.1251 BFGS: 1558 18:20:03 4.006481 0.1248 BFGS: 1559 18:20:03 3.989423 0.1246 BFGS: 1560 18:20:03 3.972411 0.1243 BFGS: 1561 18:20:03 3.955445 0.1241 BFGS: 1562 18:20:03 3.938524 0.1238 BFGS: 1563 18:20:03 3.921649 0.1236 BFGS: 1564 18:20:03 3.904820 0.1234 BFGS: 1565 18:20:03 3.888037 0.1231 BFGS: 1566 18:20:03 3.871299 0.1229 BFGS: 1567 18:20:03 3.854606 0.1226 BFGS: 1568 18:20:03 3.837959 0.1224 BFGS: 1569 18:20:03 3.821357 0.1222 BFGS: 1570 18:20:03 3.804801 0.1219 BFGS: 1571 18:20:04 3.788290 0.1217 BFGS: 1572 18:20:04 3.771825 0.1215 BFGS: 1573 18:20:04 3.755404 0.1212 BFGS: 1574 18:20:04 3.739029 0.1210 BFGS: 1575 18:20:04 3.722699 0.1207 BFGS: 1576 18:20:04 3.706415 0.1205 BFGS: 1577 18:20:04 3.690175 0.1203 BFGS: 1578 18:20:04 3.673980 0.1200 BFGS: 1579 18:20:04 3.657831 0.1198 BFGS: 1580 18:20:04 3.641726 0.1196 BFGS: 1581 18:20:04 3.625667 0.1193 BFGS: 1582 18:20:04 3.609652 0.1191 BFGS: 1583 18:20:04 3.593682 0.1189 BFGS: 1584 18:20:04 3.577757 0.1186 BFGS: 1585 18:20:04 3.561877 0.1184 BFGS: 1586 18:20:04 3.546042 0.1181 BFGS: 1587 18:20:04 3.530251 0.1179 BFGS: 1588 18:20:05 3.514505 0.1177 BFGS: 1589 18:20:05 3.498804 0.1174 BFGS: 1590 18:20:05 3.483147 0.1172 BFGS: 1591 18:20:05 3.467534 0.1170 BFGS: 1592 18:20:05 3.451967 0.1167 BFGS: 1593 18:20:05 3.436443 0.1165 BFGS: 1594 18:20:05 3.420964 0.1163 BFGS: 1595 18:20:05 3.405530 0.1160 BFGS: 1596 18:20:05 3.390140 0.1158 BFGS: 1597 18:20:05 3.374794 0.1156 BFGS: 1598 18:20:05 3.359492 0.1154 BFGS: 1599 18:20:05 3.344235 0.1151 BFGS: 1600 18:20:05 3.329022 0.1149 BFGS: 1601 18:20:05 3.313853 0.1147 BFGS: 1602 18:20:05 3.298728 0.1144 BFGS: 1603 18:20:05 3.283647 0.1142 BFGS: 1604 18:20:05 3.268610 0.1140 BFGS: 1605 18:20:05 3.253617 0.1137 BFGS: 1606 18:20:06 3.238668 0.1135 BFGS: 1607 18:20:06 3.223763 0.1133 BFGS: 1608 18:20:06 3.208902 0.1131 BFGS: 1609 18:20:06 3.194085 0.1128 BFGS: 1610 18:20:06 3.179311 0.1126 BFGS: 1611 18:20:06 3.164582 0.1124 BFGS: 1612 18:20:06 3.149896 0.1121 BFGS: 1613 18:20:06 3.135253 0.1119 BFGS: 1614 18:20:06 3.120655 0.1117 BFGS: 1615 18:20:06 3.106100 0.1115 BFGS: 1616 18:20:06 3.091588 0.1112 BFGS: 1617 18:20:06 3.077120 0.1110 BFGS: 1618 18:20:06 3.062696 0.1108 BFGS: 1619 18:20:06 3.048314 0.1106 BFGS: 1620 18:20:06 3.033977 0.1103 BFGS: 1621 18:20:06 3.019681 0.1100 BFGS: 1622 18:20:06 3.005428 0.1097 BFGS: 1623 18:20:07 2.991218 0.1094 BFGS: 1624 18:20:07 2.977050 0.1091 BFGS: 1625 18:20:07 2.962925 0.1088 BFGS: 1626 18:20:07 2.948842 0.1085 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0.1008 BFGS: 1655 18:20:08 2.558337 0.1005 BFGS: 1656 18:20:08 2.545471 0.1003 BFGS: 1657 18:20:08 2.532644 0.1000 BFGS: 1658 18:20:08 2.519856 0.0997 BFGS: 1659 18:20:09 2.507107 0.0995 BFGS: 1660 18:20:09 2.494396 0.0992 BFGS: 1661 18:20:09 2.481724 0.0990 BFGS: 1662 18:20:09 2.469090 0.0987 BFGS: 1663 18:20:09 2.456495 0.0985 BFGS: 1664 18:20:09 2.443939 0.0982 BFGS: 1665 18:20:09 2.431420 0.0979 BFGS: 1666 18:20:09 2.418940 0.0977 BFGS: 1667 18:20:09 2.406497 0.0974 BFGS: 1668 18:20:09 2.394093 0.0972 BFGS: 1669 18:20:09 2.381727 0.0969 BFGS: 1670 18:20:09 2.369398 0.0967 BFGS: 1671 18:20:09 2.357107 0.0964 BFGS: 1672 18:20:09 2.344854 0.0962 BFGS: 1673 18:20:09 2.332638 0.0959 BFGS: 1674 18:20:09 2.320460 0.0957 BFGS: 1675 18:20:09 2.308320 0.0954 BFGS: 1676 18:20:10 2.296216 0.0952 BFGS: 1677 18:20:10 2.284150 0.0949 BFGS: 1678 18:20:10 2.272121 0.0947 BFGS: 1679 18:20:10 2.260129 0.0944 BFGS: 1680 18:20:10 2.248174 0.0942 BFGS: 1681 18:20:10 2.236256 0.0939 BFGS: 1682 18:20:10 2.224375 0.0937 BFGS: 1683 18:20:10 2.212531 0.0935 BFGS: 1684 18:20:10 2.200724 0.0932 BFGS: 1685 18:20:10 2.188953 0.0930 BFGS: 1686 18:20:10 2.177218 0.0927 BFGS: 1687 18:20:10 2.165521 0.0925 BFGS: 1688 18:20:10 2.153859 0.0922 BFGS: 1689 18:20:10 2.142234 0.0920 BFGS: 1690 18:20:10 2.130646 0.0918 BFGS: 1691 18:20:10 2.119093 0.0915 BFGS: 1692 18:20:10 2.107577 0.0913 BFGS: 1693 18:20:11 2.096096 0.0910 BFGS: 1694 18:20:11 2.084652 0.0908 BFGS: 1695 18:20:11 2.073244 0.0906 BFGS: 1696 18:20:11 2.061871 0.0903 BFGS: 1697 18:20:11 2.050535 0.0901 BFGS: 1698 18:20:11 2.039234 0.0898 BFGS: 1699 18:20:11 2.027969 0.0896 BFGS: 1700 18:20:11 2.016739 0.0894 BFGS: 1701 18:20:11 2.005545 0.0891 BFGS: 1702 18:20:11 1.994386 0.0889 BFGS: 1703 18:20:11 1.983263 0.0887 BFGS: 1704 18:20:11 1.972175 0.0884 BFGS: 1705 18:20:11 1.961123 0.0882 BFGS: 1706 18:20:11 1.950105 0.0880 BFGS: 1707 18:20:11 1.939123 0.0877 BFGS: 1708 18:20:11 1.928176 0.0875 BFGS: 1709 18:20:11 1.917264 0.0873 BFGS: 1710 18:20:11 1.906387 0.0870 BFGS: 1711 18:20:12 1.895545 0.0868 BFGS: 1712 18:20:12 1.884737 0.0866 BFGS: 1713 18:20:12 1.873965 0.0863 BFGS: 1714 18:20:12 1.863227 0.0861 BFGS: 1715 18:20:12 1.852524 0.0859 BFGS: 1716 18:20:12 1.841855 0.0856 BFGS: 1717 18:20:12 1.831221 0.0854 BFGS: 1718 18:20:12 1.820622 0.0852 BFGS: 1719 18:20:12 1.810057 0.0850 BFGS: 1720 18:20:12 1.799526 0.0847 BFGS: 1721 18:20:12 1.789030 0.0845 BFGS: 1722 18:20:12 1.778568 0.0843 BFGS: 1723 18:20:12 1.768140 0.0840 BFGS: 1724 18:20:12 1.757747 0.0838 BFGS: 1725 18:20:12 1.747387 0.0836 BFGS: 1726 18:20:12 1.737062 0.0834 BFGS: 1727 18:20:12 1.726770 0.0831 BFGS: 1728 18:20:13 1.716513 0.0829 BFGS: 1729 18:20:13 1.706289 0.0827 BFGS: 1730 18:20:13 1.696100 0.0825 BFGS: 1731 18:20:13 1.685944 0.0822 BFGS: 1732 18:20:13 1.675822 0.0820 BFGS: 1733 18:20:13 1.665733 0.0818 BFGS: 1734 18:20:13 1.655678 0.0816 BFGS: 1735 18:20:13 1.645657 0.0813 BFGS: 1736 18:20:13 1.635669 0.0811 BFGS: 1737 18:20:13 1.625715 0.0809 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18:20:24 0.282647 0.0349 BFGS: 1933 18:20:25 0.278692 0.0346 BFGS: 1934 18:20:25 0.274766 0.0344 BFGS: 1935 18:20:25 0.270869 0.0341 BFGS: 1936 18:20:25 0.267000 0.0339 BFGS: 1937 18:20:25 0.263161 0.0336 BFGS: 1938 18:20:25 0.259349 0.0333 BFGS: 1939 18:20:25 0.255567 0.0331 BFGS: 1940 18:20:25 0.251813 0.0328 BFGS: 1941 18:20:25 0.248088 0.0326 BFGS: 1942 18:20:25 0.244392 0.0323 BFGS: 1943 18:20:25 0.240724 0.0321 BFGS: 1944 18:20:25 0.237084 0.0318 BFGS: 1945 18:20:25 0.233473 0.0316 BFGS: 1946 18:20:25 0.229891 0.0313 BFGS: 1947 18:20:25 0.226337 0.0311 BFGS: 1948 18:20:25 0.222812 0.0308 BFGS: 1949 18:20:25 0.219315 0.0306 BFGS: 1950 18:20:25 0.215847 0.0304 BFGS: 1951 18:20:25 0.212407 0.0301 BFGS: 1952 18:20:26 0.208995 0.0299 BFGS: 1953 18:20:26 0.205612 0.0296 BFGS: 1954 18:20:26 0.202258 0.0294 BFGS: 1955 18:20:26 0.198931 0.0291 BFGS: 1956 18:20:26 0.195633 0.0289 BFGS: 1957 18:20:26 0.192364 0.0286 BFGS: 1958 18:20:26 0.189122 0.0284 BFGS: 1959 18:20:26 0.185909 0.0281 BFGS: 1960 18:20:26 0.182724 0.0279 BFGS: 1961 18:20:26 0.179568 0.0276 BFGS: 1962 18:20:26 0.176439 0.0274 BFGS: 1963 18:20:26 0.173339 0.0271 BFGS: 1964 18:20:26 0.170267 0.0269 BFGS: 1965 18:20:26 0.167224 0.0266 BFGS: 1966 18:20:26 0.164208 0.0264 BFGS: 1967 18:20:26 0.161221 0.0261 BFGS: 1968 18:20:26 0.158261 0.0259 BFGS: 1969 18:20:27 0.155330 0.0257 BFGS: 1970 18:20:27 0.152427 0.0254 BFGS: 1971 18:20:27 0.149552 0.0252 BFGS: 1972 18:20:27 0.146705 0.0249 BFGS: 1973 18:20:27 0.143885 0.0247 BFGS: 1974 18:20:27 0.141094 0.0244 BFGS: 1975 18:20:27 0.138331 0.0242 BFGS: 1976 18:20:27 0.135596 0.0239 BFGS: 1977 18:20:27 0.132889 0.0237 BFGS: 1978 18:20:27 0.130210 0.0235 BFGS: 1979 18:20:27 0.127558 0.0232 BFGS: 1980 18:20:27 0.124935 0.0230 BFGS: 1981 18:20:27 0.122339 0.0227 BFGS: 1982 18:20:27 0.119772 0.0225 BFGS: 1983 18:20:27 0.117232 0.0222 BFGS: 1984 18:20:27 0.114720 0.0220 BFGS: 1985 18:20:27 0.112235 0.0217 BFGS: 1986 18:20:27 0.109779 0.0215 BFGS: 1987 18:20:28 0.107350 0.0213 BFGS: 1988 18:20:28 0.104949 0.0210 BFGS: 1989 18:20:28 0.102576 0.0208 BFGS: 1990 18:20:28 0.100230 0.0205 BFGS: 1991 18:20:28 0.097912 0.0203 BFGS: 1992 18:20:28 0.095622 0.0200 BFGS: 1993 18:20:28 0.093359 0.0198 BFGS: 1994 18:20:28 0.091124 0.0196 BFGS: 1995 18:20:28 0.088917 0.0193 BFGS: 1996 18:20:28 0.086737 0.0191 BFGS: 1997 18:20:28 0.084585 0.0188 BFGS: 1998 18:20:28 0.082460 0.0186 BFGS: 1999 18:20:28 0.080363 0.0184 BFGS: 2000 18:20:28 0.078293 0.0181 BFGS: 2001 18:20:28 0.076251 0.0179 BFGS: 2002 18:20:28 0.074236 0.0176 BFGS: 2003 18:20:28 0.072249 0.0174 BFGS: 2004 18:20:28 0.070289 0.0172 BFGS: 2005 18:20:28 0.068356 0.0169 BFGS: 2006 18:20:29 0.066451 0.0167 BFGS: 2007 18:20:29 0.064573 0.0164 BFGS: 2008 18:20:29 0.062723 0.0162 BFGS: 2009 18:20:29 0.060900 0.0159 BFGS: 2010 18:20:29 0.059104 0.0157 BFGS: 2011 18:20:29 0.057336 0.0155 BFGS: 2012 18:20:29 0.055595 0.0152 BFGS: 2013 18:20:29 0.053881 0.0150 BFGS: 2014 18:20:29 0.052194 0.0148 BFGS: 2015 18:20:29 0.050535 0.0145 BFGS: 2016 18:20:29 0.048903 0.0143 BFGS: 2017 18:20:29 0.047297 0.0140 BFGS: 2018 18:20:29 0.045720 0.0138 BFGS: 2019 18:20:29 0.044169 0.0136 BFGS: 2020 18:20:29 0.042645 0.0133 BFGS: 2021 18:20:29 0.041149 0.0131 BFGS: 2022 18:20:29 0.039679 0.0128 BFGS: 2023 18:20:29 0.038237 0.0126 BFGS: 2024 18:20:30 0.036821 0.0124 BFGS: 2025 18:20:30 0.035433 0.0121 BFGS: 2026 18:20:30 0.034072 0.0119 BFGS: 2027 18:20:30 0.032738 0.0117 BFGS: 2028 18:20:30 0.031430 0.0114 BFGS: 2029 18:20:30 0.030150 0.0112 BFGS: 2030 18:20:30 0.028896 0.0109 BFGS: 2031 18:20:30 0.027670 0.0107 BFGS: 2032 18:20:30 0.026470 0.0105 BFGS: 2033 18:20:30 0.025297 0.0102 BFGS: 2034 18:20:30 0.024151 0.0100 BFGS: 2035 18:20:30 0.023032 0.0098 BFGS: 2036 18:20:30 0.021940 0.0095 BFGS: 2037 18:20:30 0.020874 0.0093 BFGS: 2038 18:20:30 0.019835 0.0090 BFGS: 2039 18:20:30 0.018823 0.0088 BFGS: 2040 18:20:30 0.017838 0.0086 BFGS: 2041 18:20:30 0.016880 0.0083 BFGS: 2042 18:20:30 0.015948 0.0081 BFGS: 2043 18:20:31 0.015043 0.0079 BFGS: 2044 18:20:31 0.014164 0.0076 BFGS: 2045 18:20:31 0.013312 0.0074 BFGS: 2046 18:20:31 0.012487 0.0072 BFGS: 2047 18:20:31 0.011688 0.0069 BFGS: 2048 18:20:31 0.010916 0.0067 BFGS: 2049 18:20:31 0.010171 0.0065 BFGS: 2050 18:20:31 0.009452 0.0062 BFGS: 2051 18:20:31 0.008759 0.0060 BFGS: 2052 18:20:31 0.008094 0.0058 BFGS: 2053 18:20:31 0.007454 0.0055 BFGS: 2054 18:20:31 0.006841 0.0053 BFGS: 2055 18:20:31 0.006255 0.0050 BFGS: 2056 18:20:31 0.005695 0.0048 BFGS: 2057 18:20:31 0.005161 0.0046 BFGS: 2058 18:20:31 0.004654 0.0043 BFGS: 2059 18:20:31 0.004173 0.0041 BFGS: 2060 18:20:31 0.003718 0.0039 BFGS: 2061 18:20:32 0.003290 0.0037 BFGS: 2062 18:20:32 0.002888 0.0034 BFGS: 2063 18:20:32 0.002512 0.0032 BFGS: 2064 18:20:32 0.002163 0.0030 BFGS: 2065 18:20:32 0.001840 0.0027 BFGS: 2066 18:20:32 0.001543 0.0025 BFGS: 2067 18:20:32 0.001272 0.0023 BFGS: 2068 18:20:32 0.001028 0.0020 BFGS: 2069 18:20:32 0.000809 0.0018 BFGS: 2070 18:20:32 0.000617 0.0016 BFGS: 2071 18:20:32 0.000451 0.0014 BFGS: 2072 18:20:32 0.000312 0.0011 BFGS: 2073 18:20:32 0.000198 0.0009 BFGS: 2074 18:20:32 0.000110 0.0007 BFGS: 2075 18:20:32 0.000049 0.0005 BFGS: 2076 18:20:32 0.000013 0.0004 BFGS: 2077 18:20:32 0.000001 0.0002 BFGS: 2078 18:20:32 0.000000 0.0001 BFGS: 2079 18:20:33 0.000000 0.0001 BFGS: 2080 18:20:33 0.000000 0.0000 BFGS: 2081 18:20:33 0.000000 0.0000 Minimization converged after 2081 steps. Maximum force component: 1.7818472475285857e-09 eV/Angstrom Maximum stress component: 2.4462942916834443e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[0. 0. 0. ] [0.5 0.5 0.5 ] [0.1922026 0.1922026 0.1922026 ] [0.8077974 0.8077974 0.1922026 ] [0.8077974 0.1922026 0.8077974 ] [0.1922026 0.8077974 0.8077974 ] [0.6922026 0.6922026 0.6922026 ] [0.3077974 0.3077974 0.6922026 ] [0.3077974 0.6922026 0.3077974 ] [0.6922026 0.3077974 0.3077974 ] [0.06871495 0.06871495 0.4312776 ] [0.93128505 0.93128505 0.4312776 ] [0.93128505 0.06871495 0.5687224 ] [0.06871495 0.93128505 0.5687224 ] [0.4312776 0.06871495 0.06871495] [0.4312776 0.93128505 0.93128505] [0.5687224 0.93128505 0.06871495] [0.5687224 0.06871495 0.93128505] [0.06871495 0.4312776 0.06871495] [0.93128505 0.4312776 0.93128505] [0.06871495 0.5687224 0.93128505] [0.93128505 0.5687224 0.06871495] [0.56871495 0.56871495 0.9312776 ] [0.43128505 0.43128505 0.9312776 ] [0.43128505 0.56871495 0.0687224 ] [0.56871495 0.43128505 0.0687224 ] [0.9312776 0.56871495 0.56871495] [0.9312776 0.43128505 0.43128505] [0.0687224 0.43128505 0.56871495] [0.0687224 0.56871495 0.43128505] [0.56871495 0.9312776 0.56871495] [0.43128505 0.9312776 0.43128505] [0.56871495 0.0687224 0.43128505] [0.43128505 0.0687224 0.56871495] [0.3959098 0.90786479 0.74158581] [0.6040902 0.09213521 0.74158581] [0.6040902 0.90786479 0.25841419] [0.3959098 0.09213521 0.25841419] [0.74158581 0.3959098 0.90786479] [0.74158581 0.6040902 0.09213521] [0.25841419 0.6040902 0.90786479] [0.25841419 0.3959098 0.09213521] [0.90786479 0.74158581 0.3959098 ] [0.09213521 0.74158581 0.6040902 ] [0.90786479 0.25841419 0.6040902 ] [0.09213521 0.25841419 0.3959098 ] [0.90786479 0.3959098 0.74158581] [0.09213521 0.6040902 0.74158581] [0.90786479 0.6040902 0.25841419] [0.09213521 0.3959098 0.25841419] [0.3959098 0.74158581 0.90786479] [0.6040902 0.74158581 0.09213521] [0.6040902 0.25841419 0.90786479] [0.3959098 0.25841419 0.09213521] [0.74158581 0.90786479 0.3959098 ] [0.74158581 0.09213521 0.6040902 ] [0.25841419 0.90786479 0.6040902 ] [0.25841419 0.09213521 0.3959098 ] [0.8959098 0.40786479 0.24158581] [0.1040902 0.59213521 0.24158581] [0.1040902 0.40786479 0.75841419] [0.8959098 0.59213521 0.75841419] [0.24158581 0.8959098 0.40786479] [0.24158581 0.1040902 0.59213521] [0.75841419 0.1040902 0.40786479] [0.75841419 0.8959098 0.59213521] [0.40786479 0.24158581 0.8959098 ] [0.59213521 0.24158581 0.1040902 ] [0.40786479 0.75841419 0.1040902 ] [0.59213521 0.75841419 0.8959098 ] [0.40786479 0.8959098 0.24158581] [0.59213521 0.1040902 0.24158581] [0.40786479 0.1040902 0.75841419] [0.59213521 0.8959098 0.75841419] [0.8959098 0.24158581 0.40786479] [0.1040902 0.24158581 0.59213521] [0.1040902 0.75841419 0.40786479] [0.8959098 0.75841419 0.59213521] [0.24158581 0.40786479 0.8959098 ] [0.24158581 0.59213521 0.1040902 ] [0.75841419 0.40786479 0.1040902 ] [0.75841419 0.59213521 0.8959098 ]] cellpar = Cell([[28.298699065185374, -1.3131674613290242e-32, 8.145047660368824e-32], [9.153899219073973e-32, 28.298699065185374, -1.9541273790621928e-17], [-8.157304792443668e-32, -1.954127379062145e-17, 28.298699065185374]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.78184725e-09 1.78184725e-09 -1.23042988e-27] [-1.78184725e-09 -1.78184725e-09 1.23042988e-27] [-1.78184725e-09 1.78184725e-09 -1.23042988e-27] [ 1.78184725e-09 -1.78184725e-09 1.23042988e-27] [-2.75637420e-42 1.78184725e-09 1.78184725e-09] [ 2.75637420e-42 -1.78184725e-09 -1.78184725e-09] [-9.22124965e-42 -1.78184725e-09 1.78184725e-09] [ 9.22124965e-42 1.78184725e-09 -1.78184725e-09] [ 1.78184725e-09 -1.23042988e-27 1.78184725e-09] [-1.78184725e-09 1.23042988e-27 -1.78184725e-09] [ 1.78184725e-09 1.23042988e-27 -1.78184725e-09] [-1.78184725e-09 -1.23042988e-27 1.78184725e-09] [ 1.78184725e-09 1.78184725e-09 -1.23042988e-27] [-1.78184725e-09 -1.78184725e-09 1.23042988e-27] [-1.78184725e-09 1.78184725e-09 -1.23042988e-27] [ 1.78184725e-09 -1.78184725e-09 1.23042988e-27] [-6.14026101e-42 1.78184725e-09 1.78184725e-09] [ 6.14026101e-42 -1.78184725e-09 -1.78184725e-09] [-8.20013537e-42 -1.78184725e-09 1.78184725e-09] [ 8.20013537e-42 1.78184725e-09 -1.78184725e-09] [ 1.78184725e-09 -1.23042988e-27 1.78184725e-09] [-1.78184725e-09 1.23042988e-27 -1.78184725e-09] [ 1.78184725e-09 1.23042988e-27 -1.78184725e-09] [-1.78184725e-09 -1.23042988e-27 1.78184725e-09] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] stress = [-2.44629429e-12 -2.44629429e-12 -2.44629429e-12 8.29164032e-31 -8.01652755e-38 6.40240023e-56] energy per atom = 1.3539305178355567e-17 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0